ethene;oxolan-2-ol

C6H12O2 — CID 175689384

IUPACethene;oxolan-2-ol
SMILESC=C.OC1CCCO1
InChIInChI=1S/C4H8O2.C2H4/c5-4-2-1-3-6-4;1-2/h4-5H,1-3H2;1-2H2
InChIKeyMHAAGUJDFRCWSY-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds

About ethene;oxolan-2-ol

ethene;oxolan-2-ol (PubChem CID 175689384) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is ethene;oxolan-2-ol.

Molecular Properties

Compound Nameethene;oxolan-2-ol
PubChem CID175689384
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Nameethene;oxolan-2-ol
SMILESC=C.OC1CCCO1
InChIInChI=1S/C4H8O2.C2H4/c5-4-2-1-3-6-4;1-2/h4-5H,1-3H2;1-2H2
InChIKeyMHAAGUJDFRCWSY-UHFFFAOYSA-N
XLogP0.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;oxolan-2-ol
CID 174893517
CID 161132598
CID 161132598
magnesium;ethane;oxan-2-ol;hydrobromide
CID 173423847
oxetan-2-ol
CID 175273147
1,5-dioxocan-2-ol
CID 141332060
magnesium;oxan-2-ol;prop-1-yne
CID 173361213
2-ethoxypropan-2-ol;oxolan-2-ol;propane-2,2-diol
CID 145143848
dioxan-3-ol
CID 11970579
5-hydroxypentanal;oxan-2-ol
CID 16639559
2-silyloxan-3-ol
CID 174848934
6-ethyloxan-2-one;oxan-2-ol
CID 144771613
2-(2-methylprop-1-enyl)oxolane
CID 12735917

Frequently Asked Questions

What is the IUPAC name of ethene;oxolan-2-ol?
The IUPAC name of ethene;oxolan-2-ol (CID 175689384) is ethene;oxolan-2-ol.
What is the SMILES notation for ethene;oxolan-2-ol?
The canonical SMILES for ethene;oxolan-2-ol is C=C.OC1CCCO1.
What is the InChIKey of ethene;oxolan-2-ol?
The InChIKey is MHAAGUJDFRCWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C2H4/c5-4-2-1-3-6-4;1-2/h4-5H,1-3H2;1-2H2.
What are the key properties of ethene;oxolan-2-ol?
ethene;oxolan-2-ol has a molecular weight of 116.16 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;oxolan-2-ol is sourced from PubChem (CID 175689384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).